./iterations/neb0_image02_iter69_OSZICAR.out output for 745: 733-->741: H2O near HO-Si on SiO2 surface --> H-OSi + OH-Si on SiO2 surface (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.423438467713E+04 0.42344E+04 -0.23866E+05 2892 0.117E+03
DAV: 2 -0.430526132870E+03 -0.46649E+04 -0.45632E+04 3366 0.329E+02
DAV: 3 -0.943402564592E+03 -0.51288E+03 -0.51067E+03 3120 0.117E+02
DAV: 4 -0.955590683304E+03 -0.12188E+02 -0.12143E+02 3183 0.195E+01
DAV: 5 -0.955991132562E+03 -0.40045E+00 -0.39991E+00 3201 0.320E+00 0.813E+01
DAV: 6 -0.847966830510E+03 0.10802E+03 -0.47052E+02 3057 0.347E+01 0.376E+01
DAV: 7 -0.847497328373E+03 0.46950E+00 -0.14392E+01 3534 0.608E+00 0.146E+01
DAV: 8 -0.847161051433E+03 0.33628E+00 -0.95835E-01 3165 0.236E+00 0.593E+00
DAV: 9 -0.847114168785E+03 0.46883E-01 -0.40814E-01 3192 0.151E+00 0.855E-01
DAV: 10 -0.847120833438E+03 -0.66647E-02 -0.71970E-02 3102 0.603E-01 0.592E-01
DAV: 11 -0.847120836798E+03 -0.33608E-05 -0.66916E-03 3120 0.209E-01 0.335E-01
DAV: 12 -0.847122382170E+03 -0.15454E-02 -0.69415E-03 3048 0.240E-01 0.118E-01
DAV: 13 -0.847126005971E+03 -0.36238E-02 -0.44160E-03 3210 0.210E-01 0.135E-01
DAV: 14 -0.847130284311E+03 -0.42783E-02 -0.29054E-03 3111 0.141E-01 0.931E-02
DAV: 15 -0.847135104421E+03 -0.48201E-02 -0.11773E-03 3120 0.847E-02 0.346E-02
DAV: 16 -0.847137433080E+03 -0.23287E-02 -0.40949E-04 3111 0.475E-02 0.364E-02
DAV: 17 -0.847138517066E+03 -0.10840E-02 -0.19955E-04 3093 0.346E-02 0.249E-02
DAV: 18 -0.847139238906E+03 -0.72184E-03 -0.29545E-05 2445 0.192E-02 0.132E-02
DAV: 19 -0.847139779741E+03 -0.54083E-03 -0.38674E-05 2697 0.210E-02 0.686E-03
DAV: 20 -0.847139885753E+03 -0.10601E-03 -0.30252E-05 2625 0.143E-02 0.658E-03
DAV: 21 -0.847139920973E+03 -0.35220E-04 -0.35416E-06 2004 0.440E-03 0.578E-03
DAV: 22 -0.847139940174E+03 -0.19201E-04 -0.20186E-06 1986 0.329E-03 0.267E-03
DAV: 23 -0.847139948663E+03 -0.84894E-05 -0.16076E-06 1986 0.311E-03
1 F= -.84713995E+03 E0= -.84714381E+03 d E =0.115958E-01